2-[4-(azepan-1-ylsulfonyl)phenyl]-5-[(4-ethoxyphenyl)amino]-1,3-oxazole-4-carbonitrile

Systemtic Name: 2-[4-(azepan-1-ylsulfonyl)phenyl]-5-[(4-ethoxyphenyl)amino]-1,3-oxazole-4-carbonitrile Openeye Name: 2-[4-(azepan-1-ylsulfonyl)phenyl]-5-(4-ethoxyanilino)oxazole-4-carbonitrile CAS Name: 2-[4-(1-azepanylsulfonyl)phenyl]-5-(4-ethoxyanilino)-4-oxazolecarbonitrile IUPAC Name: 2-[4-(azepan-1-ylsulfonyl)phenyl]-5-(4-ethoxyanilino)-1,3-oxazole-4-carbonitrile Traditional Name: 2-[4-(azepan-1-ylsulfonyl)phenyl]-5-(p-phenetidino)oxazole-4-carbonitrile Formula: C24H26N4O4S MolecularWeight: 466.55264

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC2=C(N=C(O2)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4)C#N

Isomeric SMILES

CCOC1=CC=C(C=C1)NC2=C(N=C(O2)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4)C#N

InChI

InChI=1S/C24H26N4O4S/c1-2-31-20-11-9-19(10-12-20)26-24-22(17-25)27-23(32-24)18-7-13-21(14-8-18)33(29,30)28-15-5-3-4-6-16-28/h7-14,26H,2-6,15-16H2,1H3